哇斯碱与小牛胸腺 DNA 的相互作用：分子对接、光谱和差示扫描量热法的见解。
Interaction of vasicine with calf thymus DNA: Molecular docking, spectroscopic and differential scanning calorimetric insights.
机构信息
Department of Biosciences, Sri Sathya Sai Institute of Higher Learning, Prasanthi Nilayam, Andhra Pradesh 515134, India; Division of Research and Development, Lovely Professional University, Jalandhar-Delhi G.T. Road, NH-1, Phagwara, Punjab 144411, India.
Material Science & Technology, Innovation Centre, Tata Chemicals Limited, Pune, Maharashtra, India; Department of Chemistry, Sri Sathya Sai Institute of Higher Learning, Prasanthi Nilayam, Andhra Pradesh 515134, India.
出版信息
Spectrochim Acta A Mol Biomol Spectrosc. 2017 Jun 5;180:217-223. doi: 10.1016/j.saa.2017.03.016. Epub 2017 Mar 8.
The present study brings out the interaction between vasicine, an alkaloid of Adhatoda vasica Nees with double stranded DNA [corrected]. The physico-chemical interaction between small molecules and nucleic acids is a major area of focus in screening drugs against various cancers. Molecular probing in our study using Molecular Operating Environment (MOE) has revealed interaction of vasicine with DNA double helix. Here we report the interaction of vasicine with Calf thymus DNA. We present for the first time the results obtained from UV-visible, fluorescence spectroscopic and differential scanning calorimetric techniques that suggest a moderate to strong electrostatic, hydrophobic and van der Waals interactions mediating the DNA binding properties of vasicine, leading to disruption of DNA secondary structure.
本研究揭示了瓦氏细辛堿（Adhatoda vasica Nees 的一种生物碱）与双链 DNA [已更正]之间的相互作用。小分子与核酸之间的物理化学相互作用是筛选针对各种癌症的药物的主要重点领域。本研究使用分子操作环境（MOE）进行的分子探测揭示了瓦氏细辛堿与 DNA 双螺旋的相互作用。在这里，我们报告了瓦氏细辛堿与小牛胸腺 DNA 的相互作用。我们首次提供了从紫外可见光谱、荧光光谱和差示扫描量热法获得的结果，这些结果表明，介导瓦氏细辛堿与 DNA 结合特性的是中等至强静电、疏水和范德华相互作用，导致 DNA 二级结构的破坏。
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